(2R)-2-ethanimidoyl-3-oxidanylidene-4-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-butanenitrile

Systemtic Name: (2R)-2-ethanimidoyl-3-oxidanylidene-4-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-butanenitrile Openeye Name: (2R)-2-ethanimidoyl-4-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-3-oxo-butanenitrile CAS Name: (2R)-2-(1-iminoethyl)-3-oxo-4-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]butanenitrile IUPAC Name: (2R)-2-ethanimidoyl-3-oxo-4-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylbutanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]-3-keto-butyronitrile Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C17H18N4O2S/c1-10(2)21-16(23)12-6-4-5-7-14(12)20-17(21)24-9-15(22)13(8-18)11(3)19/h4-7,10,13,19H,9H2,1-3H3/t13-/m0/s1